3-ethyl-1-methylsulfonylazetidine

C6H13NO2S — CID 89422699

IUPAC3-ethyl-1-methylsulfonylazetidine
SMILESCCC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO2S/c1-3-6-4-7(5-6)10(2,8)9/h6H,3-5H2,1-2H3
InChIKeyXYHXJQZMQKWNJO-UHFFFAOYSA-N
MW163.24 g/mol
LogP0.29
Rot. Bonds2

About 3-ethyl-1-methylsulfonylazetidine

3-ethyl-1-methylsulfonylazetidine (PubChem CID 89422699) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 3-ethyl-1-methylsulfonylazetidine.

Molecular Properties

Compound Name3-ethyl-1-methylsulfonylazetidine
PubChem CID89422699
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name3-ethyl-1-methylsulfonylazetidine
SMILESCCC1CN(S(C)(=O)=O)C1
InChIInChI=1S/C6H13NO2S/c1-3-6-4-7(5-6)10(2,8)9/h6H,3-5H2,1-2H3
InChIKeyXYHXJQZMQKWNJO-UHFFFAOYSA-N
XLogP0.29
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylsulfonylazetidine?
The IUPAC name of 3-ethyl-1-methylsulfonylazetidine (CID 89422699) is 3-ethyl-1-methylsulfonylazetidine.
What is the SMILES notation for 3-ethyl-1-methylsulfonylazetidine?
The canonical SMILES for 3-ethyl-1-methylsulfonylazetidine is CCC1CN(S(C)(=O)=O)C1.
What is the InChIKey of 3-ethyl-1-methylsulfonylazetidine?
The InChIKey is XYHXJQZMQKWNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-3-6-4-7(5-6)10(2,8)9/h6H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-1-methylsulfonylazetidine?
3-ethyl-1-methylsulfonylazetidine has a molecular weight of 163.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylsulfonylazetidine is sourced from PubChem (CID 89422699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).